6-chloranyl-7-[4-[(6-oxidanylidene-1H-pyridazin-3-yl)carbonyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-chloranyl-7-[4-[(6-oxidanylidene-1H-pyridazin-3-yl)carbonyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[[4-[oxo-(6-oxo-1H-pyridazin-3-yl)methyl]-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-[4-(6-keto-1H-pyridazine-3-carbonyl)piperazino]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C17H16ClN5O6S MolecularWeight: 453.85684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NNC(=O)C=C2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=NNC(=O)C=C2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

InChI

InChI=1S/C17H16ClN5O6S/c18-10-7-12-13(29-9-16(25)19-12)8-14(10)30(27,28)23-5-3-22(4-6-23)17(26)11-1-2-15(24)21-20-11/h1-2,7-8H,3-6,9H2,(H,19,25)(H,21,24)